Diethyl 3,3-dioxo-3lambda6-thia-2,4-diazatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-2,4-dicarboxylate | 394654-76-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: Diethyl 3,3-dioxo-3lambda6-thia-2,4-diazatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-2,4-dicarboxylate
• 英文别名: diethyl 3,3-dioxo-3λ6-thia-2,4-diazatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-2,4-dicarboxylate
• CAS: 394654-76-3
• 化学式: C₁₆H₁₆N₂O₆S
• 分子量: 364.379
• InChiKey: NZZKFUOIDKBTIF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  102
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  Diethyl 3,3-dioxo-3lambda6-thia-2,4-diazatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-2,4-dicarboxylate 在 cesium fluoride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.33h， 以79%的产率得到
  参考文献：
  名称：

  Highly Selective Synthesis of Heterosubstituted Aromatic Sulfamides

  摘要：

  [GRAPHICS]The sulfamide functional group is increasingly relevant in both medicinal and supramolecular chemistry, yet few selective synthetic steps are available for its elaboration. We report here a mild, general, and efficient method for the selective differentiation of N-atom substituents of aromatic sulfamides.

  DOI：

  10.1021/ol0169731
• 作为产物：
  描述：

  氯甲酸乙酯 、 1H,3H-naphtho[1,8cd][1,2,6]thiadiazine-2,2-dioxide 在 sodium carbonate 作用下， 以 丙酮 为溶剂， 反应 21.0h， 以71%的产率得到Diethyl 3,3-dioxo-3lambda6-thia-2,4-diazatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-2,4-dicarboxylate
  参考文献：
  名称：

  Highly Selective Synthesis of Heterosubstituted Aromatic Sulfamides

  摘要：

  [GRAPHICS]The sulfamide functional group is increasingly relevant in both medicinal and supramolecular chemistry, yet few selective synthetic steps are available for its elaboration. We report here a mild, general, and efficient method for the selective differentiation of N-atom substituents of aromatic sulfamides.

  DOI：

  10.1021/ol0169731

文献信息

• Highly Selective Synthesis of Heterosubstituted Aromatic Sulfamides
  作者：Fraser Hof、Peter M. Iovine、Darren W. Johnson、Julius Rebek

  DOI：10.1021/ol0169731

  日期：2001.12.1

  [GRAPHICS]The sulfamide functional group is increasingly relevant in both medicinal and supramolecular chemistry, yet few selective synthetic steps are available for its elaboration. We report here a mild, general, and efficient method for the selective differentiation of N-atom substituents of aromatic sulfamides.